| SpectraBase Compound ID | KEbOKV21NHG |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3,(H,16,17) |
| InChIKey | YPWBYMBZGDPMOZ-UHFFFAOYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C14H26O3 |
| Exact Mass | 242.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ysUvQhGFVb |
|---|---|
| Name | Tetradecanoic acid, 13-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.188194694 u |
| Formula | C14H26O3 |
| InChI | InChI=1S/C14H26O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3,(H,16,17) |
| InChIKey | YPWBYMBZGDPMOZ-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | C(CCCC(O)=O)CCCCCCCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941314 |